2-(4-nitrophenyl)-10-phenylsulfanyl-decanoic acid

Systemtic Name: 2-(4-nitrophenyl)-10-phenylsulfanyl-decanoic acid Openeye Name: 2-(4-nitrophenyl)-10-phenylsulfanyl-decanoic acid CAS Name: 2-(4-nitrophenyl)-10-(phenylthio)decanoic acid IUPAC Name: 2-(4-nitrophenyl)-10-phenylsulfanyldecanoic acid Traditional Name: 2-(4-nitrophenyl)-10-(phenylthio)capric acid Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCCCCCC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCCCCCCC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H27NO4S/c24-22(25)21(18-13-15-19(16-14-18)23(26)27)12-8-3-1-2-4-9-17-28-20-10-6-5-7-11-20/h5-7,10-11,13-16,21H,1-4,8-9,12,17H2,(H,24,25)